Create figure as published in ART-RRT: As-Rigid-As-Possible Exploration of Ligand Unbinding Pathways

Surendra

Hello SAMSON team,
I ran the Ligand unbinding pathway app for my complex system and I got the different path. I would like to know, how to make figure presenting the path in the colour form as published in original publication (Journal of Computational Chemistry 2018, DOI: 10.1002/jcc.25132). Is there any code or any app in SAMSON.

Looking for the recommendation.

Surendra

Stephane

Dear Surendra,

thanks for your interest in SAMSON! Unfortunately, at the moment this functionality is not available, but we will add it in upcoming versions (if you program in C++, it might be possible to code a visual model as in the tutorial at https://documentation.samson-connect.net/creating-novel-visualizations/).

Best,

Stephane

Surendra

Dear Stephane,
Thanks for the information. Unfortunately, I am not well versed in programming. Could it be possible to share the code, if you have created in that paper. You can share it to my email.

Thanks,
Surendra

DmitriyMarin

Dear @Surendra ,

The visual model for creating paths as in the ART-RRT paper will be available on https://samson-connect.net next week. I will keep you updated here.

Best regards,
Dmitriy

DmitriyMarin

Dear @Surendra ,

A visual model for creating pathlines as in the ART-RRT paper is available now. Please, check out the Pathlines tutorial to learn more.

Best,
Dmitriy

Surendra

Dear Dimitriy,
Thank you very much.

Best Regards,

Surendra